N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide

C15H24NO2P — CID 2241619

IUPACN,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
SMILESCCCP(=O)(CC(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C15H24NO2P/c1-4-12-19(18,14-10-8-7-9-11-14)13-15(17)16(5-2)6-3/h7-11H,4-6,12-13H2,1-3H3
InChIKeyJBJHBLJAOOWKQZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.95
Rot. Bonds7

About N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide

N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide (PubChem CID 2241619) has the molecular formula C15H24NO2P and a molecular weight of 281.34 g/mol. Its IUPAC name is N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
PubChem CID2241619
Molecular FormulaC15H24NO2P
Molecular Weight281.34 g/mol
Exact Mass281.15
IUPAC NameN,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
SMILESCCCP(=O)(CC(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C15H24NO2P/c1-4-12-19(18,14-10-8-7-9-11-14)13-15(17)16(5-2)6-3/h7-11H,4-6,12-13H2,1-3H3
InChIKeyJBJHBLJAOOWKQZ-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide?
The IUPAC name of N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide (CID 2241619) is N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide?
The canonical SMILES for N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide is CCCP(=O)(CC(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide?
The InChIKey is JBJHBLJAOOWKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO2P/c1-4-12-19(18,14-10-8-7-9-11-14)13-15(17)16(5-2)6-3/h7-11H,4-6,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide?
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide has a molecular weight of 281.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide is sourced from PubChem (CID 2241619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).